Methyl 4-chloro-4-oxobutyrate - CAS 1490-25-1
Catalog: |
BB010365 |
Product Name: |
Methyl 4-chloro-4-oxobutyrate |
CAS: |
1490-25-1 |
Synonyms: |
methyl 4-chloro-4-oxobutanoate |
IUPAC Name: | methyl 4-chloro-4-oxobutanoate |
Description: | Methyl 4-chloro-4-oxobutyrate (CAS# 1490-25-1) is a useful research chemical. |
Molecular Weight: | 150.56 |
Molecular Formula: | C5H7ClO3 |
Canonical SMILES: | COC(=O)CCC(=O)Cl |
InChI: | InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3 |
InChI Key: | SRXOJMOGPYFZKC-UHFFFAOYSA-N |
Boiling Point: | 58-65 °C (3 mmHg) |
Purity: | 96 % |
Density: | 1.223 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00000750 |
LogP: | 0.70500 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0083718 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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